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CAS 618-67-7 MELILOTOSIDE molecular structure lightbox
CAS RN: 618-67-7

MELILOTOSIDE

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250708 10mg In stock Shanghai Inquiry
Batchno.20251013 1mg In stock Shanghai Inquiry
Batchno.20250602 25mg In stock Shanghai Inquiry
Batchno.20260221 50mg Out of stock Inquiry
Batchno.20250310 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS618-67-7
  • Purity/Analytical Methods: >99.0%
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618-67-7 / 3-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid

Standard CAS: 618-67-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
618-67-7
Multi CAS
Yes
Molecular Formula
C15H18O8
Molecular Weight
326.300000
Exact Mass
326.100168
InChI
InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)
InChIKey
GVRIYIMNJGULCZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
5
Molar refractivity
77.51
TPSA
136.68

LogP / Solubility

WLOGP
-1.04
MLOGP
-0.9
XLogP3
-0.4
Consensus LogP
-0.78
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1.49
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5

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